Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL4849403

CC(=O)CC(C)C.COCCOCCOC

nearest known ligand 0.61

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 2/20 0.34
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
TSHR P16473 2/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
PIK3CD O00329 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methyl Isobutyl Ketone SCHEMBL11316688 0.93 ALDH1A1 (0.70) ALDH1A1TDP1CA2MMP1MMP2
Methyl Isobutyl Ketone SCHEMBL16881572 0.91 TDP1 (0.50) ALDH1A1TDP1MEN1KMT2A
Butoxyethanol SCHEMBL29173943 0.83 TSHR (0.52) ALDH1A1TDP1MEN1KMT2ATSHR
Methyl Isobutyl Ketone SCHEMBL3598175 0.83 ALDH1A1 (0.56) ALDH1A1TDP1CA2TSHRGAA
Methyl Isobutyl Ketone SCHEMBL105458 0.83 ALDH1A1 (0.61) ALDH1A1TDP1CA2MMP1MMP2
Methyl Isobutyl Ketone SCHEMBL28232965 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CA2MMP1MMP2
Methyl Isobutyl Ketone SCHEMBL4849401 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MEN1KMT2ACA2
Methyl Isobutyl Ketone SCHEMBL28119601 0.80 ALDH1A1 (0.64) ALDH1A1TDP1MEN1KMT2ACA2
SCHEMBL19514131 0.79 MMP1 (0.37) ALDH1A1TDP1MEN1KMT2AMMP1
Methyl Isobutyl Ketone SCHEMBL15345258 0.78 TDP1 (0.61) ALDH1A1TDP1CA2MMP1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232349-B Coated steel plate and its manufacturing method and cooking appliance component 日新制钢株式会社 2018-12-21 CN disclosed
CN-106232349-A Coated steel plate and manufacture method thereof and cooking appliance parts 日新制钢株式会社 2016-12-14 CN disclosed
US-7354521-B2 Method of fabricating inkjet print head using photocurable resin composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-08 US disclosed
US-20060060561-A1 Method of fabricating inkjet print head using photocurable resin composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-03-23 US disclosed